SCHEMBL5769063

SCHEMBL5769063

O=C(O)C1=Cc2cc(Cl)cc(CC#CCc3ccccc3)c2OC1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.63
PTGS1 P23219 16/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5770381 0.88 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5643935 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5645398 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5769338 0.86 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5767838 0.86 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5769051 0.86 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6093408 0.84 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6095003 0.84 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6092724 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL14460115 0.81 PTGS2 (0.76) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP claimed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO claimed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed